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CAS 4455-13-4 Ethyl (Methylthio)acetate molecular structure lightbox
CAS RN: 4455-13-4

Ethyl (Methylthio)acetate

Product Availability

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4 package records3 with current stock2 grade groups
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250806 100g In stock Inquiry
Batchno.20250801 25g In stock Inquiry
Batchno.20260620 5g In stock Inquiry
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250612 5g Out of stock 8-10 business days Inquiry
  • Product code: SSC-152605
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Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 100g
  • Available purity: ≥97%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 4455-13-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
100g ≥97% 0 Out of Stock Shenzhen Inquiry

4455-13-4 / ethyl 2-methylsulfanylacetate

Standard CAS: 4455-13-4 Multi CAS: Yes
Basic Information Physical Properties Computed Properties

Basic Information

CAS
4455-13-4
Multi CAS
Yes
Molecular Formula
C5H10O2S
Molecular Weight
134.200000
Exact Mass
134.040151
InChI
InChI=1S/C5H10O2S/c1-3-7-5(6)4-8-2/h3-4H2,1-2H3
InChIKey
MDIAKIHKBBNYHF-UHFFFAOYSA-N

Physical Properties

Boiling Point
70.00 to 72.00 °C. @ 12.00 mm Hg
Density
1.038-1.043
Physical Description
colourless liquid with a fruity odour
State
Liquid

Computed Properties

Structural Parameters

Heavy atom count
8
Fraction Csp3
0.8
Rotatable bonds
3
H-bond acceptors
3
Molar refractivity
35.01
TPSA
26.3

LogP / Solubility

WLOGP
0.91
MLOGP
0.8
XLogP3
1.2
Consensus LogP
0.97
Log S (ESOL)
-1.05
Class (ESOL)
Soluble
Log S (Ali)
-1.32
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.65
Class (SILICOS-IT)
Soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.89

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5

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